6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol

C13H11NO2S — CID 14484919

IUPAC6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Sc1cccnc1)OCC2
InChIInChI=1S/C13H11NO2S/c15-11-6-9-3-5-16-12(9)7-13(11)17-10-2-1-4-14-8-10/h1-2,4,6-8,15H,3,5H2
InChIKeyLCSGDSTWIVCWAQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.87
Rot. Bonds2

About 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol

6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484919) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484919
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol
SMILESOc1cc2c(cc1Sc1cccnc1)OCC2
InChIInChI=1S/C13H11NO2S/c15-11-6-9-3-5-16-12(9)7-13(11)17-10-2-1-4-14-8-10/h1-2,4,6-8,15H,3,5H2
InChIKeyLCSGDSTWIVCWAQ-UHFFFAOYSA-N
XLogP2.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
3-(6-nitrospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-yl)sulfanylpyridine
CID 10782638
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 141169120
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 153262456
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484919) is 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is Oc1cc2c(cc1Sc1cccnc1)OCC2.
What is the InChIKey of 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is LCSGDSTWIVCWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-11-6-9-3-5-16-12(9)7-13(11)17-10-2-1-4-14-8-10/h1-2,4,6-8,15H,3,5H2.
What are the key properties of 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol?
6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 245.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-ylsulfanyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).